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1-Bromo-4-phenylmethoxybenzene → (R)-4-(4-benzyloxyphenyl)-3-methylpiperazine-1-carboxylic acid tert-butyl ester

HRID 106
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HRID 106 반응식
Brc1ccc(OCc2ccccc2)cc1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1>C1CCOC1.CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)[O-].[K+].[Pd]>C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(OCc2ccccc2)cc1
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참가 물질

7

반응물 2

HCID 1388351-Bromo-4-phenylmethoxybenzeneHCID 2756811(R)-1-Boc-3-methylpiperazine

생성물 1

HCID 70873375(R)-4-(4-benzyloxyphenyl)-3-methylpiperazine-1-carboxylic acid tert-butyl ester수율 35.73%

시약·촉매·용매 4

HCID 23665647Potassium tert-butoxide시약HCID 83681Tris(1,1-dimethylethyl)phosphine촉매
HCID 2734558
Bis(tri-tert-butylphosphine)palladium(0)
촉매
HCID 8028Tetrahydrofuran용매

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온도
150 °C

실험 절차

A mixture of 1-(benzyloxy)-4-bromobenzene (158 mg, 0.60 mmol), (R)-tert-butyl 3-methylpiperazine-1-carboxylate (60.1 mg, 0.3 mmol), bis(tri-t- butylphosphine)palladium(0) (15.33 mg, 0.03 mmol) and potassium tert-butoxide (37.0 mg, 0.33 mmol) in THF (2 mL) was flushed with nitrogen and sealed into a microwave tube. The reaction was heated to 150 °C for 20 minutes in the microwave reactor and cooled to RT. The reaction mixture was filtered and the filtrate evaporated to dryness. The residue was dissolved in MeOH (5mL) and purified by ion exchange chromatography, using an SCX column. The desired product was eluted from the column using 0.35M NH3/MeOH and pure fractions were evaporated to dryness. The crude product was purified by flash silica chromatography, elution gradient 0 to 20% EtOAc in isohexane. Pure fractions were evaporated to dryness to afford (R)-tert-butyl 4-(4-(benzyloxy)phenyl)-3-methylpiperazine-1-carboxylate (41.0 mg, 35.7 %) as a colourless oil that solidified on standing.

출처 및 근거

ORD 기록
ord-8459652e6963448495d966b232514570
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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